CID 91736720

4'-methyl acetyl fentanyl

Structural Information

Molecular Formula
C22H28N2O
SMILES
CC1=CC=C(C=C1)CCN2CCC(CC2)N(C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C22H28N2O/c1-18-8-10-20(11-9-18)12-15-23-16-13-22(14-17-23)24(19(2)25)21-6-4-3-5-7-21/h3-11,22H,12-17H2,1-2H3
InChIKey
BBMRIHXVAUNKEV-UHFFFAOYSA-N
Compound name
N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

336.22015 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 184.3
[M+Na]+ 359.20937 186.6
[M-H]- 335.21287 192.2
[M+NH4]+ 354.25397 195.9
[M+K]+ 375.18331 182.4
[M+H-H2O]+ 319.21741 173.3
[M+HCOO]- 381.21835 202.4
[M+CH3COO]- 395.23400 217.4
[M+Na-2H]- 357.19482 184.6
[M]+ 336.21960 180.8
[M]- 336.22070 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe